1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-phenyl-
TL;DR: 1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-phenyl- (CAS 142744-27-2) is a chemical compound with molecular formula C22H25N5O5S and molecular weight 471.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4,6-dinitro-3-N-phenylbenzene-1,3-diamine
Also Known As: 1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-phenyl-, 2-Hydroxymethyl-2-propyl-propan-1,3-diol-triacetat, 3-N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-4,6-dinitro-1-N-phenylbenzene-1,3-diamine, 3-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4,6-dinitro-3-N-phenylbenzene-1,3-diamine, N-[2-(5-Dimethylaminomethyl-furan-2-ylmethylsulfanyl)-ethyl]-4,6-dinitro-N''-phenyl-benzene-1,3-diamine
| Molecular Formula | C22H25N5O5S |
|---|---|
| Molecular Weight | 471.16 g/mol |
| LogP | 5.2465 |
| Topological Polar Surface Area | 126.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 471.15765 |
| Heavy Atoms | 33 |
| Complexity | 1103.8109 |
Chemical Identifiers
| CAS Number | 142744-27-2 |
|---|---|
| SMILES | CN(C)CC1=CC=C(O1)CSCCNC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])NC3=CC=CC=C3 |
Product Overview
1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-phenyl- (CAS 142744-27-2), with molecular formula C22H25N5O5S and molecular weight 471.16 g/mol. IUPAC: 1-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4,6-dinitro-3-N-phenylbenzene-1,3-diamine.
Chemical Property Profile of 1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-phenyl-
Property Insights of 1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-phenyl-
The XLogP value of 5.2465 indicates that 1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-phenyl-. Following Lipinski's Rule of Five, 1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-phenyl- has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-phenyl-?
The CAS number of 1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-phenyl- is 142744-27-2.
What is the molecular formula of 1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-phenyl-?
The molecular formula of 1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-phenyl- is C22H25N5O5S.
What is the molecular weight of 1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-phenyl-?
The molecular weight of 1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-phenyl- is 471.16 g/mol.
Where can I buy 1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-phenyl-?
You can request a quote for 1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.